CID 60396

2,3-dimethylphenyl carbamate

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=C(C(=CC=C1)OC(=O)N)C
InChI
InChI=1S/C9H11NO2/c1-6-4-3-5-8(7(6)2)12-9(10)11/h3-5H,1-2H3,(H2,10,11)
InChIKey
BRCWUAZOJNULLQ-UHFFFAOYSA-N
Compound name
(2,3-dimethylphenyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

437
Patents

165.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.3
[M+Na]+ 188.068198 141.9
[M-H]- 164.071704 137.3
[M+NH4]+ 183.112803 153.9
[M+K]+ 204.042138 140.5
[M+H-H2O]+ 148.076240 127.8
[M+HCOO]- 210.077181 158.0
[M+CH3COO]- 224.092831 181.1
[M+Na-2H]- 186.053646 138.1
[M]+ 165.07843142 133.7
[M]- 165.07952858 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe